alchemical analysis crashes when calc-lambda-neighbors=1

[wesbarnett]

If the user performs a simulation with calc-lambda-neighbors = 1, the script correctly detects that it can't do MBAR, but will attempt to calculate using other methods. But, it crashes when trying to do the following in slice_data:

u_klt[state, s1:s2, :nsnapshots[state]] = P.beta * ( data[r1:r2, :] + data[-1,:] )

The full error is here.

[davidlmobley]

We've moved this to https://github.com/mobleylab/alchemical-analysis and hopefully will have a fix there. We decided the workflow would be easier going forwards if alchemical-analysis is separated from pymbar. Thanks for your input and hopefully we'll have a fix soon (or submit a Pull Request there if you have one).

[davidlmobley]

We believe this was fixed by MobleyLab/alchemical-analysis#12. This issue can be closed and any further issues relating to this can be on the alchemical-analysis GitHub site.